(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride

C12H17ClN2O — CID 146049803

IUPAC(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-13-12(15)11-8-7-10(14-11)9-5-3-2-4-6-9;/h2-6,10-11,14H,7-8H2,1H3,(H,13,15);1H/t10-,11+;/m1./s1
InChIKeyCUWAXGPYYZOQSB-DHXVBOOMSA-N
MW240.73 g/mol
LogP1.65
Rot. Bonds2

About (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride

(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 146049803) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID146049803
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-13-12(15)11-8-7-10(14-11)9-5-3-2-4-6-9;/h2-6,10-11,14H,7-8H2,1H3,(H,13,15);1H/t10-,11+;/m1./s1
InChIKeyCUWAXGPYYZOQSB-DHXVBOOMSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
(2R,5R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154919495
tert-butyl (2S)-5-phenylpyrrolidine-2-carboxylate
CID 15837692
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725
(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154923238
5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 54605167
(2R,5R)-5-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 154569424
(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577262
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride
CID 154924091
(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
CID 155498138

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride (CID 146049803) is (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride is CNC(=O)[C@@H]1CC[C@H](c2ccccc2)N1.Cl.
What is the InChIKey of (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CUWAXGPYYZOQSB-DHXVBOOMSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-13-12(15)11-8-7-10(14-11)9-5-3-2-4-6-9;/h2-6,10-11,14H,7-8H2,1H3,(H,13,15);1H/t10-,11+;/m1./s1.
What are the key properties of (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 146049803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).